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Fluorine in PDB 5dt4: Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122

Enzymatic activity of Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122

All present enzymatic activity of Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122:
2.7.11.1;

Protein crystallography data

The structure of Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122, PDB code: 5dt4 was solved by M.Janecek, M.Rossmann, P.Sharma, A.Emery, G.J.Mckenzie, D.J.Huggins, S.Stockwell, J.A.Stokes, E.G.Almeida, B.Hardwick, A.J.Narvaez, M.Hyvonen, D.R.Spring, A.R.Venkitaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.70 / 2.86
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.500, 82.500, 170.020, 90.00, 90.00, 120.00
R / Rfree (%) 19 / 25.6

Other elements in 5dt4:

The structure of Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122 (pdb code 5dt4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122, PDB code: 5dt4:

Fluorine binding site 1 out of 1 in 5dt4

Go back to Fluorine Binding Sites List in 5dt4
Fluorine binding site 1 out of 1 in the Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aurora A Kinase in Complex with AA35 and Atp in Space Group P6122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:0.4
occ:1.00
 F17 A:5DN402 0.0 0.4 1.0
C16 A:5DN402 1.4 0.7 1.0
C18 A:5DN402 2.3 0.7 1.0
C15 A:5DN402 2.5 0.1 1.0
N14 A:5DN402 2.8 0.1 1.0
CG A:GLU175 3.4 0.2 1.0
C19 A:5DN402 3.6 0.2 1.0
CD1 A:LEU169 3.6 0.2 1.0
C21 A:5DN402 3.7 1.0 1.0
CD A:GLU175 3.8 0.1 1.0
OE2 A:GLU175 3.9 0.8 1.0
CB A:LEU169 4.0 0.1 1.0
CG2 A:VAL206 4.0 0.7 1.0
CD2 A:LEU178 4.1 0.3 1.0
C20 A:5DN402 4.2 0.8 1.0
C06 A:5DN402 4.2 0.2 1.0
CG A:LEU169 4.4 0.3 1.0
CA A:LYS166 4.5 0.1 1.0
CG A:LYS166 4.5 0.4 1.0
CB A:GLU175 4.6 0.0 1.0
OE1 A:GLU175 4.6 0.1 1.0
CA A:GLU175 4.7 0.4 1.0
C13 A:5DN402 4.7 0.2 1.0
O A:LYS166 4.7 0.2 1.0
CB A:LYS166 4.8 0.9 1.0
CD2 A:LEU169 4.9 0.7 1.0
C04 A:5DN402 4.9 0.9 1.0

Reference:

M.Janecek, M.Rossmann, P.Sharma, A.Emery, D.J.Huggins, S.R.Stockwell, J.E.Stokes, Y.S.Tan, E.G.Almeida, B.Hardwick, A.J.Narvaez, M.Hyvonen, D.R.Spring, G.J.Mckenzie, A.R.Venkitaraman. Allosteric Modulation of Aurka Kinase Activity By A Small-Molecule Inhibitor of Its Protein-Protein Interaction with TPX2. Sci Rep V. 6 28528 2016.
ISSN: ESSN 2045-2322
PubMed: 27339427
DOI: 10.1038/SREP28528
Page generated: Thu Aug 1 08:52:51 2024

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